Information card for entry 4027260

Structure parameters

• Common name: aziridino-γ-lactone
• Chemical name: (2aS,2a1R,5aS)-tetrahydro-2H-1,4-dioxa-3-thia-2b- azacyclopropa[hi]inden-2-one 3,3-dioxide
• Formula: C5 H5 N O5 S
• Calculated formula: C5 H5 N O5 S
• SMILES: S1(=O)(=O)OC[C@H]2OC(=O)[C@H]3N1[C@@H]23
• Title of publication: Rhodium-Catalyzed Intramolecular Formation of N-Sulfamoyl 2,3-Aziridino-γ-lactones and Their Use for the Enantiospecific Synthesis of α,β-Diamino Acid Derivatives
• Authors of publication: Marcelo Siqueira Valle; Mauricio Frota Saraiva; Pascal Retailleau; Mauro V. de Almeida; Robert H. Dodd
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2012
• Journal volume: 77
• Pages of publication: 5592 - 5599
• a: 6.465 ± 0.004 Å
• b: 6.493 ± 0.004 Å
• c: 17.064 ± 0.008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 716.3 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0679
• Residual factor for significantly intense reflections: 0.0647
• Weighted residual factors for significantly intense reflections: 0.1538
• Weighted residual factors for all reflections included in the refinement: 0.1553
• Goodness-of-fit parameter for all reflections included in the refinement: 1.135
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No